>compound Theophylline
>formula C7H8N4O2
>parentmass 181.072472508741
>charge 1

>ms1peaks
64.0147639974453 1.46545
124.04974049932 3.16871
162.074575653181 2.50837
163.13857161001 1.0583
180.08987048697 1.74695
181.071601094413 100.0

>collision 10.0
96.052836276851 3.02343
124.051729119357 7.37415
181.072472508741 100.0

>collision 20.0
41.0404596334218 3.02069
57.0434849667372 4.38713
69.0454675595635 11.601
80.0099360704058 2.48694
96.0555600623643 19.3763
98.9563686200348 2.66727
124.049889612222 100.0
181.071972744432 58.9713

>collision 40.0
42.0335368970277 100.0
67.0296352785313 15.8315
69.0448750880417 58.9164
94.0370061898298 7.92713
96.055835772737 24.4179
96.9582211655271 4.74421
109.022955119351 11.7857
124.051795516709 5.17976

